Compound Identification
SMILES
CON=C(C(=O)N[C@H]1[C@H]2SCC(C[N+]3=CC=C(N)N3CCO)=C(N2C1=O)C(O)=O)C1=CSC(N)=N1
InChIKey
InChIKey=BHXLLRXDAYEMPP-CXAGYDPISA-O
Formula
C19H23N8O6S2
Mass
523.56
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Cephems
- Level 6 Cephalosporins
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Level 5
Cephems
-
Subclass
Beta lactams
-
Class
Lactams
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Lactams
Subclass
Beta lactams
Intermediate Tree Nodes
Cephems
Direct Parent
Cephalosporins
Alternative Parents
N-acyl-alpha amino acids and derivatives 2,4-disubstituted thiazoles 1,3-thiazines 2-amino-1,3-thiazoles Tertiary carboxylic acid amides Pyrazoles Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Thiohemiaminal derivatives Alkanolamines Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Azacyclic compounds Primary amines Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary alcohols Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - 2,4-disubstituted 1,3-thiazole - Meta-thiazine - 1,3-thiazol-2-amine - Azole - Pyrazole - Tertiary carboxylic acid amide - Thiazole - Heteroaromatic compound - Amino acid - Secondary carboxylic acid amide - Azetidine - Carboxamide group - Amino acid or derivatives - Thioether - Monocarboxylic acid or derivatives - Alkanolamine - Carboxylic acid - Hemithioaminal - Dialkylthioether - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary alcohol - Primary amine - Amine - Hydrocarbon derivative - Organic oxide - Alcohol - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moiety or a derivative thereof.
External Descriptors
Not available